6,9a-dimethyl-2-(naphthalen-1-yl)-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid
Chemical Structure Depiction of
6,9a-dimethyl-2-(naphthalen-1-yl)-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid
6,9a-dimethyl-2-(naphthalen-1-yl)-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid
Compound characteristics
| Compound ID: | 2995-2032 |
| Compound Name: | 6,9a-dimethyl-2-(naphthalen-1-yl)-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid |
| Molecular Weight: | 525.69 |
| Molecular Formula: | C34 H39 N O4 |
| Smiles: | CC(C)C1=CC23CCC4C(C)(CCCC4(C)C(O)=O)C3CC1C1C2C(N(C1=O)c1cccc2ccccc12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5246 |
| logD: | 3.2316 |
| logSw: | -6.2784 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.669 |
| InChI Key: | RNGSERBHOATKNP-UHFFFAOYSA-N |